General Information of the Compound
| Compound ID |
CP0709778
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| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(4-(2-(3-ethylureido)ethyl)piperidin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide
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| Structure |
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| Formula |
C29H42N8O5S
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| Molecular Weight |
614.773
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| Canonical SMILES |
CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1
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| InChI |
InChI=1S/C29H42N8O5S/c1-2-33-29(40)34-14-10-20-11-15-37(16-12-20)28(39)25(18-21-5-3-6-22(17-21)27(31)32)36-43(41,42)24-8-4-7-23(19-24)35-26(38)9-13-30/h3-8,17,19-20,25,36H,2,9-16,18,30H2,1H3,(H3,31,32)(H,35,38)(H2,33,34,40)/t25-/m0/s1
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| InChIKey |
MKQBXZZBVTZVKV-VWLOTQADSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound